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Ligand

NameCHEMBL174592
Molecular formulaC34H28FN5O4
IUPAC namemethyl 1-(dimethylcarbamoyl)-6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
Molecular weight589.627
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50062051
SCHEMBL7492121
1-Dimethylcarbamoyl-6-(4-fluoro-phenyl)-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
Inchi KeyCMICIAVRPDZHDE-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H28FN5O4/c1-20-37-28-17-36-14-13-29(28)39(20)18-21-5-7-23(8-6-21)32(41)27-19-40(34(43)38(2)3)30-16-24(22-9-11-25(35)12-10-22)15-26(31(27)30)33(42)44-4/h5-17,19H,18H2,1-4H3
PubChem CID10841126
ChEMBLCHEMBL174592
IUPHARN/A
BindingDB50062051
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
45343Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341
45344Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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